SCHEMBL12473440

SCHEMBL12473440

COc1ccc2nc(-c3cc4ccccc4[nH]3)nc(C(CCN)N(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ MAPT P10636 6/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ DYRK3 O43781 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK4 Q9NR20 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ KMT2A Q03164 5/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12473326 0.92 KDM4E (0.42) KDM4EMAPTRAB9ANPC1DYRK3
SCHEMBL12473413 0.89 KMT2A (0.46) KDM4EMAPTRAB9ANPC1DYRK3
SCHEMBL12473298 0.87 APP (0.37) KDM4EMAPTRAB9ANPC1GSK3B
SCHEMBL12473443 0.83 KDM4E (0.41) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL12473441 0.81 KMT2A (0.42) KDM4EMAPTCASP3SENP7DYRK3
SCHEMBL12473279 0.81 KDM1A (0.42) KDM4EMAPTRAB9ANPC1DYRK3
SCHEMBL12473328 0.75 KMT2A (0.42) KDM4EMAPTRAB9ANPC1DYRK3
SCHEMBL12473317 0.74 KDM4E (0.42) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL1289424 0.72 RAD52 (0.59) KDM4EMAPTGSK3BCLK4KMT2A
SCHEMBL12473406 0.72 CD74 (0.37) KDM4EMAPTRAB9AKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 — — WO disclosed
Send feedback